SCHEMBL13701679

SCHEMBL13701679

CC(C)(C)NC(=O)c1cccc(-c2ccc(F)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
BLK P51451 1/20 0.46
BTK Q06187 1/20 0.46
ANO1 Q5XXA6 6/20 0.44
CDK8 P49336 2/20 0.43
LMNA P02545 2/20 0.42
RIPK1 Q13546 1/20 0.42
DYRK1A Q13627 1/20 0.41
ULK1 O75385 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13701669 0.85 RIPK1 (0.45) NPC1HTTRAB9ACDK8LMNA
SCHEMBL13701680 0.84 KCNQ3 (0.48) NPC1HTTRAB9ACDK8LMNA
SCHEMBL13701640 0.82 MEN1 (0.60)
SCHEMBL13702390 0.82 CDK8 (0.61) BLKBTKCDK8DYRK1AULK1
SCHEMBL13702140 0.82 ERN1 (0.55) BLKBTKDYRK1A
SCHEMBL22801121 0.80 MAP4K4 (0.57) BLKBTKCDK8
SCHEMBL13701676 0.80 GAA (0.44) CDK8LMNARIPK1DYRK1A
SCHEMBL13611934 0.80 KMO (0.61) RIPK1DYRK1A
SCHEMBL4257073 0.80 CDK8 (0.59) NPC1RAB9ACDK8
SCHEMBL4254452 0.79 KMO (0.59) LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX NPC1 1477/4885HTT 3678/4885RAB9A 2708/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.